#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/00/7030062.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7030062
loop_
_publ_author_name
'Mirzadeh, Nedaossadat'
'Drumm, Daniel W.'
'Wagler, Jörg'
'Russo, Salvy P.'
'Bhargava, Suresh'
_publ_section_title
;
 Different solvates of the dinuclear cyclometallated gold(I) complex
 [Au2(μ-2-C6H4AsMe2)2]: a computational study insight into
 solvent-effected optical properties.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12883
_journal_page_last               12890
_journal_paper_doi               10.1039/c3dt50219h
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety
'2(C16 H20 As2 Au2), 0.5(C H2 Cl2), 1.5(C H4 O)'
_chemical_formula_sum            'C34 H47 As4 Au4 Cl O1.5'
_chemical_formula_weight         1602.71
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.413(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.4432(7)
_cell_length_b                   10.8953(5)
_cell_length_c                   36.3500(12)
_cell_measurement_reflns_used    24315
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.32
_cell_measurement_theta_min      2.46
_cell_volume                     8028.7(5)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0813
_diffrn_reflns_av_sigmaI/netI    0.0600
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            38643
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    17.938
_exptl_absorpt_correction_T_max  0.2357
_exptl_absorpt_correction_T_min  0.1480
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   XShape
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5824
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.531
_refine_diff_density_min         -1.822
_refine_diff_density_rms         0.258
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         8742
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.0661
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0386P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0788
_reflns_number_gt                6113
_reflns_number_total             8742
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50219h.cif
_cod_data_source_block           neda_fg_01201
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C34 H47 As4 Au4 Cl O1.50'
_cod_database_code               7030062
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C34 C 0.2570(7) 0.1432(13) 0.0561(3) 0.067(4) Uani 1 1 d D . .
H34A H 0.2415 0.1441 0.0805 0.101 Uiso 1 1 calc R . .
H34B H 0.2754 0.0623 0.0516 0.101 Uiso 1 1 calc R . .
H34C H 0.2199 0.1605 0.0368 0.101 Uiso 1 1 calc R . .
O1 O 0.3092(5) 0.2393(10) 0.0549(2) 0.080(3) Uani 1 1 d D . .
H1O H 0.3150 0.2766 0.0753 0.121 Uiso 1 1 calc R . .
C33 C 1.0106(10) 0.261(3) 0.1874(11) 0.109(3) Uani 0.50 1 d PD A 1
H33A H 1.0042 0.2046 0.1658 0.130 Uiso 0.50 1 calc PR A 1
H33B H 1.0377 0.2179 0.2081 0.130 Uiso 0.50 1 calc PR A 1
Cl1 Cl 0.9332(4) 0.3024(8) 0.2008(3) 0.103(3) Uani 0.50 1 d PD A 1
Cl2 Cl 1.0506(5) 0.3970(10) 0.1758(3) 0.109(3) Uani 0.50 1 d PD A 1
C35 C 1.0580(17) 0.296(4) 0.2189(10) 0.109(3) Uani 0.50 1 d PD B 2
H35A H 1.0977 0.2866 0.2067 0.163 Uiso 0.50 1 d PR B 2
H35B H 1.0544 0.2272 0.2358 0.163 Uiso 0.50 1 d PR B 2
H35C H 1.0610 0.3732 0.2331 0.163 Uiso 0.50 1 d PR B 2
O2 O 0.9982(13) 0.300(2) 0.1904(8) 0.109(3) Uani 0.50 1 d PD B 2
H2O H 0.9685 0.2524 0.1966 0.163 Uiso 0.50 1 d P C 2
Au1 Au 0.440411(18) 0.41930(3) 0.129040(8) 0.02483(8) Uani 1 1 d . . .
Au2 Au 0.297070(17) 0.46011(3) 0.126474(8) 0.02306(8) Uani 1 1 d . . .
Au3 Au 0.162562(18) 0.59483(3) 0.128614(8) 0.02580(9) Uani 1 1 d . . .
Au4 Au 0.078753(18) 0.81352(3) 0.133695(8) 0.02571(9) Uani 1 1 d . . .
As1 As 0.41262(5) 0.22100(8) 0.15175(2) 0.0258(2) Uani 1 1 d . . .
As2 As 0.32401(5) 0.64440(8) 0.09458(2) 0.0256(2) Uani 1 1 d . . .
As3 As 0.19402(5) 0.64277(9) 0.19325(2) 0.0292(2) Uani 1 1 d . . .
As4 As 0.06354(5) 0.78740(9) 0.06721(2) 0.0297(2) Uani 1 1 d . . .
C1 C 0.3200(5) 0.1979(8) 0.1566(2) 0.0251(19) Uani 1 1 d . . .
C2 C 0.3007(5) 0.0832(8) 0.1691(2) 0.031(2) Uani 1 1 d . . .
H2 H 0.3326 0.0200 0.1743 0.037 Uiso 1 1 calc R . .
C3 C 0.2355(5) 0.0609(8) 0.1740(2) 0.031(2) Uani 1 1 d . . .
H3 H 0.2222 -0.0171 0.1820 0.037 Uiso 1 1 calc R . .
C4 C 0.1903(5) 0.1555(9) 0.1668(3) 0.034(2) Uani 1 1 d . . .
H4 H 0.1459 0.1427 0.1710 0.041 Uiso 1 1 calc R . .
C5 C 0.2083(5) 0.2677(9) 0.1538(2) 0.030(2) Uani 1 1 d . . .
H5 H 0.1757 0.3293 0.1482 0.036 Uiso 1 1 calc R . .
C6 C 0.2742(5) 0.2932(8) 0.1485(2) 0.0258(19) Uani 1 1 d . . .
C7 C 0.4590(6) 0.1642(9) 0.1988(2) 0.037(2) Uani 1 1 d . . .
H7A H 0.4409 0.0848 0.2052 0.055 Uiso 1 1 calc R . .
H7B H 0.4534 0.2241 0.2182 0.055 Uiso 1 1 calc R . .
H7C H 0.5060 0.1550 0.1966 0.055 Uiso 1 1 calc R . .
C8 C 0.4317(6) 0.0865(9) 0.1199(3) 0.036(2) Uani 1 1 d . . .
H8A H 0.4193 0.0087 0.1307 0.054 Uiso 1 1 calc R . .
H8B H 0.4789 0.0856 0.1176 0.054 Uiso 1 1 calc R . .
H8C H 0.4064 0.0971 0.0953 0.054 Uiso 1 1 calc R . .
C9 C 0.4173(5) 0.6739(8) 0.0940(2) 0.029(2) Uani 1 1 d . . .
C10 C 0.4363(5) 0.7850(9) 0.0792(2) 0.034(2) Uani 1 1 d . . .
H10 H 0.4036 0.8428 0.0699 0.041 Uiso 1 1 calc R . .
C11 C 0.5024(5) 0.8122(8) 0.0780(2) 0.0273(19) Uani 1 1 d . . .
H11 H 0.5151 0.8879 0.0680 0.033 Uiso 1 1 calc R . .
C12 C 0.5489(6) 0.7271(9) 0.0915(3) 0.038(2) Uani 1 1 d . . .
H12 H 0.5944 0.7439 0.0910 0.046 Uiso 1 1 calc R . .
C13 C 0.5297(5) 0.6162(9) 0.1060(3) 0.034(2) Uani 1 1 d . . .
H13 H 0.5630 0.5595 0.1153 0.041 Uiso 1 1 calc R . .
C14 C 0.4643(4) 0.5846(8) 0.1074(2) 0.0236(18) Uani 1 1 d . . .
C15 C 0.2894(6) 0.6458(12) 0.0420(2) 0.048(3) Uani 1 1 d . . .
H15A H 0.3028 0.7218 0.0306 0.072 Uiso 1 1 calc R . .
H15B H 0.2411 0.6412 0.0392 0.072 Uiso 1 1 calc R . .
H15C H 0.3068 0.5752 0.0297 0.072 Uiso 1 1 calc R . .
C16 C 0.2932(6) 0.8019(10) 0.1105(3) 0.053(3) Uani 1 1 d . . .
H16A H 0.3184 0.8249 0.1342 0.080 Uiso 1 1 calc R . .
H16B H 0.2463 0.7960 0.1134 0.080 Uiso 1 1 calc R . .
H16C H 0.2992 0.8644 0.0918 0.080 Uiso 1 1 calc R . .
C17 C 0.1471(5) 0.7780(8) 0.2132(2) 0.028(2) Uani 1 1 d . . .
C18 C 0.1642(5) 0.8066(9) 0.2504(2) 0.034(2) Uani 1 1 d . . .
H18 H 0.1964 0.7594 0.2654 0.041 Uiso 1 1 calc R . .
C19 C 0.1338(5) 0.9044(9) 0.2655(2) 0.032(2) Uani 1 1 d . . .
H19 H 0.1453 0.9249 0.2909 0.038 Uiso 1 1 calc R . .
C20 C 0.0870(5) 0.9718(9) 0.2437(2) 0.032(2) Uani 1 1 d . . .
H20 H 0.0654 1.0378 0.2543 0.039 Uiso 1 1 calc R . .
C21 C 0.0708(5) 0.9438(8) 0.2060(2) 0.029(2) Uani 1 1 d . . .
H21 H 0.0387 0.9913 0.1911 0.034 Uiso 1 1 calc R . .
C22 C 0.1019(5) 0.8460(8) 0.1902(2) 0.0257(19) Uani 1 1 d . . .
C23 C 0.1839(7) 0.5092(9) 0.2272(3) 0.048(3) Uani 1 1 d . . .
H23A H 0.2055 0.4356 0.2191 0.072 Uiso 1 1 calc R . .
H23B H 0.1369 0.4925 0.2276 0.072 Uiso 1 1 calc R . .
H23C H 0.2041 0.5321 0.2522 0.072 Uiso 1 1 calc R . .
C24 C 0.2853(6) 0.6906(12) 0.2076(3) 0.049(3) Uani 1 1 d . . .
H24A H 0.2899 0.7790 0.2037 0.073 Uiso 1 1 calc R . .
H24B H 0.3136 0.6457 0.1924 0.073 Uiso 1 1 calc R . .
H24C H 0.2982 0.6712 0.2338 0.073 Uiso 1 1 calc R . .
C25 C 0.0929(5) 0.6315(9) 0.0495(2) 0.031(2) Uani 1 1 d . . .
C26 C 0.0741(6) 0.5995(10) 0.0124(2) 0.046(3) Uani 1 1 d . . .
H26 H 0.0451 0.6513 -0.0032 0.055 Uiso 1 1 calc R . .
C27 C 0.0974(6) 0.4935(10) -0.0015(2) 0.043(3) Uani 1 1 d . . .
H27 H 0.0856 0.4741 -0.0270 0.052 Uiso 1 1 calc R . .
C28 C 0.1370(6) 0.4155(10) 0.0205(2) 0.039(2) Uani 1 1 d . . .
H28 H 0.1524 0.3415 0.0108 0.047 Uiso 1 1 calc R . .
C29 C 0.1547(5) 0.4469(9) 0.0579(2) 0.032(2) Uani 1 1 d . . .
H29 H 0.1825 0.3929 0.0734 0.038 Uiso 1 1 calc R . .
C30 C 0.1331(5) 0.5538(8) 0.0733(2) 0.026(2) Uani 1 1 d . . .
C31 C 0.1145(7) 0.9035(11) 0.0425(3) 0.054(3) Uani 1 1 d . . .
H31A H 0.1616 0.8912 0.0508 0.081 Uiso 1 1 calc R . .
H31B H 0.1020 0.9872 0.0484 0.081 Uiso 1 1 calc R . .
H31C H 0.1059 0.8908 0.0156 0.081 Uiso 1 1 calc R . .
C32 C -0.0231(6) 0.8188(10) 0.0394(2) 0.042(3) Uani 1 1 d . . .
H32A H -0.0226 0.7958 0.0134 0.063 Uiso 1 1 calc R . .
H32B H -0.0337 0.9063 0.0409 0.063 Uiso 1 1 calc R . .
H32C H -0.0565 0.7703 0.0499 0.063 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
O1 C34 H34A 109.5 .
O1 C34 H34B 109.5 .
H34A C34 H34B 109.5 .
O1 C34 H34C 109.5 .
H34A C34 H34C 109.5 .
H34B C34 H34C 109.5 .
C34 O1 H1O 109.5 .
Cl1 C33 Cl2 107.8(19) .
Cl1 C33 H33A 110.2 .
Cl2 C33 H33A 110.2 .
Cl1 C33 H33B 110.2 .
Cl2 C33 H33B 110.2 .
H33A C33 H33B 108.5 .
O2 C35 H35A 109.7 .
O2 C35 H35B 109.3 .
H35A C35 H35B 109.5 .
O2 C35 H35C 109.4 .
H35A C35 H35C 109.5 .
H35B C35 H35C 109.5 .
C35 O2 H2O 110(3) .
C14 Au1 As1 177.4(2) .
C14 Au1 Au2 98.0(2) .
As1 Au1 Au2 82.46(3) .
C14 Au1 Au4 95.1(2) 3_545
As1 Au1 Au4 84.24(3) 3_545
Au2 Au1 Au4 166.281(16) 3_545
C6 Au2 As2 174.0(2) .
C6 Au2 Au1 97.4(3) .
As2 Au2 Au1 81.59(3) .
C6 Au2 Au3 99.2(3) .
As2 Au2 Au3 82.96(3) .
Au1 Au2 Au3 160.396(16) .
C30 Au3 As3 178.6(3) .
C30 Au3 Au4 97.8(3) .
As3 Au3 Au4 81.28(3) .
C30 Au3 Au2 91.2(3) .
As3 Au3 Au2 90.06(3) .
Au4 Au3 Au2 154.038(16) .
C22 Au4 As4 173.5(3) .
C22 Au4 Au3 98.0(3) .
As4 Au4 Au3 80.98(3) .
C22 Au4 Au1 94.7(3) 3_455
As4 Au4 Au1 89.44(3) 3_455
Au3 Au4 Au1 147.733(16) 3_455
C8 As1 C1 103.3(4) .
C8 As1 C7 99.9(4) .
C1 As1 C7 104.4(4) .
C8 As1 Au1 113.5(3) .
C1 As1 Au1 115.1(3) .
C7 As1 Au1 118.5(3) .
C9 As2 C16 102.4(5) .
C9 As2 C15 102.7(4) .
C16 As2 C15 101.2(6) .
C9 As2 Au2 115.4(3) .
C16 As2 Au2 119.3(3) .
C15 As2 Au2 113.6(4) .
C23 As3 C24 102.0(5) .
C23 As3 C17 103.5(4) .
C24 As3 C17 101.5(5) .
C23 As3 Au3 114.9(3) .
C24 As3 Au3 116.4(3) .
C17 As3 Au3 116.3(3) .
C31 As4 C25 102.1(5) .
C31 As4 C32 98.7(5) .
C25 As4 C32 106.3(4) .
C31 As4 Au4 112.4(4) .
C25 As4 Au4 115.5(2) .
C32 As4 Au4 119.3(3) .
C6 C1 C2 121.3(9) .
C6 C1 As1 121.1(6) .
C2 C1 As1 117.6(7) .
C3 C2 C1 120.8(9) .
C3 C2 H2 119.6 .
C1 C2 H2 119.6 .
C4 C3 C2 118.3(8) .
C4 C3 H3 120.9 .
C2 C3 H3 120.9 .
C5 C4 C3 121.6(9) .
C5 C4 H4 119.2 .
C3 C4 H4 119.2 .
C4 C5 C6 121.5(9) .
C4 C5 H5 119.2 .
C6 C5 H5 119.2 .
C1 C6 C5 116.6(8) .
C1 C6 Au2 123.7(7) .
C5 C6 Au2 119.6(7) .
As1 C7 H7A 109.5 .
As1 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
As1 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
As1 C8 H8A 109.5 .
As1 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
As1 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C10 C9 C14 121.2(9) .
C10 C9 As2 118.1(7) .
C14 C9 As2 120.6(7) .
C11 C10 C9 121.2(9) .
C11 C10 H10 119.4 .
C9 C10 H10 119.4 .
C12 C11 C10 118.4(9) .
C12 C11 H11 120.8 .
C10 C11 H11 120.8 .
C11 C12 C13 120.3(10) .
C11 C12 H12 119.9 .
C13 C12 H12 119.9 .
C14 C13 C12 123.3(10) .
C14 C13 H13 118.3 .
C12 C13 H13 118.3 .
C13 C14 C9 115.6(8) .
C13 C14 Au1 120.7(7) .
C9 C14 Au1 123.7(7) .
As2 C15 H15A 109.5 .
As2 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
As2 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
As2 C16 H16A 109.5 .
As2 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
As2 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
C22 C17 C18 122.2(8) .
C22 C17 As3 120.4(6) .
C18 C17 As3 117.3(7) .
C19 C18 C17 119.3(9) .
C19 C18 H18 120.3 .
C17 C18 H18 120.3 .
C20 C19 C18 120.0(8) .
C20 C19 H19 120.0 .
C18 C19 H19 120.0 .
C19 C20 C21 120.3(9) .
C19 C20 H20 119.8 .
C21 C20 H20 119.8 .
C20 C21 C22 120.3(9) .
C20 C21 H21 119.8 .
C22 C21 H21 119.8 .
C17 C22 C21 117.7(7) .
C17 C22 Au4 123.8(6) .
C21 C22 Au4 118.5(7) .
As3 C23 H23A 109.5 .
As3 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
As3 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
As3 C24 H24A 109.5 .
As3 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
As3 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C26 C25 C30 120.9(9) .
C26 C25 As4 118.7(7) .
C30 C25 As4 120.4(6) .
C27 C26 C25 120.0(10) .
C27 C26 H26 120.0 .
C25 C26 H26 120.0 .
C28 C27 C26 121.2(9) .
C28 C27 H27 119.4 .
C26 C27 H27 119.4 .
C27 C28 C29 118.5(9) .
C27 C28 H28 120.8 .
C29 C28 H28 120.8 .
C30 C29 C28 122.6(9) .
C30 C29 H29 118.7 .
C28 C29 H29 118.7 .
C29 C30 C25 116.8(8) .
C29 C30 Au3 120.2(7) .
C25 C30 Au3 123.0(6) .
As4 C31 H31A 109.5 .
As4 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
As4 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
As4 C32 H32A 109.5 .
As4 C32 H32B 109.5 .
H32A C32 H32B 109.5 .
As4 C32 H32C 109.5 .
H32A C32 H32C 109.5 .
H32B C32 H32C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C34 O1 1.499(16) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
O1 H1O 0.8400 .
C33 Cl1 1.77(2) .
C33 Cl2 1.77(2) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C33 H2O 0.967(13) .
Cl1 H2O 0.932(10) .
C35 O2 1.499(16) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
O2 H2O 0.85(3) .
Au1 C14 2.049(9) .
Au1 As1 2.4069(9) .
Au1 Au2 2.9534(5) .
Au1 Au4 3.0384(5) 3_545
Au2 C6 2.064(8) .
Au2 As2 2.4173(9) .
Au2 Au3 3.1268(5) .
Au3 C30 2.072(8) .
Au3 As3 2.4117(9) .
Au3 Au4 2.9544(5) .
Au4 C22 2.079(8) .
Au4 As4 2.4133(8) .
Au4 Au1 3.0384(5) 3_455
As1 C8 1.938(9) .
As1 C1 1.941(10) .
As1 C7 1.945(9) .
As2 C9 1.936(10) .
As2 C16 1.942(11) .
As2 C15 1.951(9) .
As3 C23 1.937(10) .
As3 C24 1.942(12) .
As3 C17 1.947(9) .
As4 C31 1.934(11) .
As4 C25 1.940(9) .
As4 C32 1.953(11) .
C1 C6 1.404(13) .
C1 C2 1.404(12) .
C2 C3 1.388(14) .
C2 H2 0.9500 .
C3 C4 1.385(14) .
C3 H3 0.9500 .
C4 C5 1.378(12) .
C4 H4 0.9500 .
C5 C6 1.412(13) .
C5 H5 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.399(13) .
C9 C14 1.410(13) .
C10 C11 1.389(14) .
C10 H10 0.9500 .
C11 C12 1.372(14) .
C11 H11 0.9500 .
C12 C13 1.394(13) .
C12 H12 0.9500 .
C13 C14 1.389(14) .
C13 H13 0.9500 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C22 1.378(13) .
C17 C18 1.390(11) .
C18 C19 1.381(13) .
C18 H18 0.9500 .
C19 C20 1.374(14) .
C19 H19 0.9500 .
C20 C21 1.401(12) .
C20 H20 0.9500 .
C21 C22 1.401(12) .
C21 H21 0.9500 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.397(12) .
C25 C30 1.398(13) .
C26 C27 1.371(14) .
C26 H26 0.9500 .
C27 C28 1.361(14) .
C27 H27 0.9500 .
C28 C29 1.405(12) .
C28 H28 0.9500 .
C29 C30 1.388(13) .
C29 H29 0.9500 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C14 Au1 Au2 C6 -179.8(3) . .
As1 Au1 Au2 C6 2.7(2) . .
Au4 Au1 Au2 C6 17.1(2) 3_545 .
C14 Au1 Au2 As2 6.2(2) . .
As1 Au1 Au2 As2 -171.28(3) . .
Au4 Au1 Au2 As2 -156.95(6) 3_545 .
C14 Au1 Au2 Au3 -32.2(2) . .
As1 Au1 Au2 Au3 150.37(4) . .
Au4 Au1 Au2 Au3 164.70(4) 3_545 .
C6 Au2 Au3 C30 -97.6(3) . .
As2 Au2 Au3 C30 76.7(2) . .
Au1 Au2 Au3 C30 114.9(2) . .
C6 Au2 Au3 As3 81.7(2) . .
As2 Au2 Au3 As3 -103.92(3) . .
Au1 Au2 Au3 As3 -65.72(5) . .
C6 Au2 Au3 Au4 151.6(2) . .
As2 Au2 Au3 Au4 -34.06(4) . .
Au1 Au2 Au3 Au4 4.14(6) . .
C30 Au3 Au4 C22 175.3(3) . .
As3 Au3 Au4 C22 -3.6(3) . .
Au2 Au3 Au4 C22 -75.4(3) . .
C30 Au3 Au4 As4 -11.3(2) . .
As3 Au3 Au4 As4 169.87(4) . .
Au2 Au3 Au4 As4 98.09(4) . .
C30 Au3 Au4 Au1 63.1(2) . 3_455
As3 Au3 Au4 Au1 -115.80(3) . 3_455
Au2 Au3 Au4 Au1 172.42(2) . 3_455
Au2 Au1 As1 C8 117.7(4) . .
Au4 Au1 As1 C8 -58.9(4) 3_545 .
Au2 Au1 As1 C1 -1.1(2) . .
Au4 Au1 As1 C1 -177.7(2) 3_545 .
Au2 Au1 As1 C7 -125.6(4) . .
Au4 Au1 As1 C7 57.8(4) 3_545 .
Au1 Au2 As2 C9 -7.4(3) . .
Au3 Au2 As2 C9 160.5(3) . .
Au1 Au2 As2 C16 -129.9(5) . .
Au3 Au2 As2 C16 38.0(5) . .
Au1 Au2 As2 C15 110.9(4) . .
Au3 Au2 As2 C15 -81.2(4) . .
Au4 Au3 As3 C23 125.4(4) . .
Au2 Au3 As3 C23 -79.2(4) . .
Au4 Au3 As3 C24 -115.4(4) . .
Au2 Au3 As3 C24 40.1(4) . .
Au4 Au3 As3 C17 4.3(3) . .
Au2 Au3 As3 C17 159.7(3) . .
Au3 Au4 As4 C31 -103.1(4) . .
Au1 Au4 As4 C31 107.9(4) 3_455 .
Au3 Au4 As4 C25 13.5(3) . .
Au1 Au4 As4 C25 -135.5(3) 3_455 .
Au3 Au4 As4 C32 142.1(4) . .
Au1 Au4 As4 C32 -6.9(4) 3_455 .
C8 As1 C1 C6 -126.4(7) . .
C7 As1 C1 C6 129.6(7) . .
Au1 As1 C1 C6 -2.1(7) . .
C8 As1 C1 C2 54.5(7) . .
C7 As1 C1 C2 -49.5(7) . .
Au1 As1 C1 C2 178.8(5) . .
C6 C1 C2 C3 -0.4(12) . .
As1 C1 C2 C3 178.7(6) . .
C1 C2 C3 C4 -1.1(13) . .
C2 C3 C4 C5 2.6(14) . .
C3 C4 C5 C6 -2.6(14) . .
C2 C1 C6 C5 0.4(12) . .
As1 C1 C6 C5 -178.6(6) . .
C2 C1 C6 Au2 -175.4(6) . .
As1 C1 C6 Au2 5.5(9) . .
C4 C5 C6 C1 1.0(12) . .
C4 C5 C6 Au2 177.0(7) . .
Au1 Au2 C6 C1 -5.4(7) . .
Au3 Au2 C6 C1 -174.9(6) . .
Au1 Au2 C6 C5 178.9(6) . .
Au3 Au2 C6 C5 9.4(7) . .
C16 As2 C9 C10 -42.5(7) . .
C15 As2 C9 C10 62.1(8) . .
Au2 As2 C9 C10 -173.7(5) . .
C16 As2 C9 C14 138.6(7) . .
C15 As2 C9 C14 -116.7(7) . .
Au2 As2 C9 C14 7.4(7) . .
C14 C9 C10 C11 -1.3(13) . .
As2 C9 C10 C11 179.9(6) . .
C9 C10 C11 C12 0.2(13) . .
C10 C11 C12 C13 0.2(14) . .
C11 C12 C13 C14 0.5(15) . .
C12 C13 C14 C9 -1.5(13) . .
C12 C13 C14 Au1 179.8(7) . .
C10 C9 C14 C13 1.8(12) . .
As2 C9 C14 C13 -179.4(6) . .
C10 C9 C14 Au1 -179.5(6) . .
As2 C9 C14 Au1 -0.7(9) . .
Au2 Au1 C14 C13 173.9(7) . .
Au4 Au1 C14 C13 -10.0(7) 3_545 .
Au2 Au1 C14 C9 -4.6(7) . .
Au4 Au1 C14 C9 171.4(6) 3_545 .
C23 As3 C17 C22 -131.3(8) . .
C24 As3 C17 C22 123.2(8) . .
Au3 As3 C17 C22 -4.2(8) . .
C23 As3 C17 C18 52.6(9) . .
C24 As3 C17 C18 -53.0(8) . .
Au3 As3 C17 C18 179.6(6) . .
C22 C17 C18 C19 1.8(14) . .
As3 C17 C18 C19 177.9(7) . .
C17 C18 C19 C20 0.3(14) . .
C18 C19 C20 C21 -1.5(15) . .
C19 C20 C21 C22 0.6(14) . .
C18 C17 C22 C21 -2.6(14) . .
As3 C17 C22 C21 -178.6(7) . .
C18 C17 C22 Au4 176.2(7) . .
As3 C17 C22 Au4 0.2(11) . .
C20 C21 C22 C17 1.4(13) . .
C20 C21 C22 Au4 -177.5(7) . .
Au3 Au4 C22 C17 2.8(8) . .
Au1 Au4 C22 C17 153.1(8) 3_455 .
Au3 Au4 C22 C21 -178.3(7) . .
Au1 Au4 C22 C21 -28.1(7) 3_455 .
C31 As4 C25 C26 -70.4(10) . .
C32 As4 C25 C26 32.6(10) . .
Au4 As4 C25 C26 167.3(8) . .
C31 As4 C25 C30 108.6(9) . .
C32 As4 C25 C30 -148.4(8) . .
Au4 As4 C25 C30 -13.7(9) . .
C30 C25 C26 C27 -3.0(17) . .
As4 C25 C26 C27 176.0(9) . .
C25 C26 C27 C28 2.4(19) . .
C26 C27 C28 C29 -1.0(18) . .
C27 C28 C29 C30 0.3(16) . .
C28 C29 C30 C25 -0.8(14) . .
C28 C29 C30 Au3 -179.0(8) . .
C26 C25 C30 C29 2.2(14) . .
As4 C25 C30 C29 -176.8(7) . .
C26 C25 C30 Au3 -179.7(8) . .
As4 C25 C30 Au3 1.3(11) . .
Au4 Au3 C30 C29 -173.5(7) . .
Au2 Au3 C30 C29 30.9(7) . .
Au4 Au3 C30 C25 8.5(8) . .
Au2 Au3 C30 C25 -147.1(8) . .
